cotinineglucuronide
TL;DR: cotinineglucuronide (CAS 5746-86-1) is a chemical compound with molecular formula C16H21N2O7+ and molecular weight 353.1349 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,4,5-trihydroxy-6-[3-(1-methyl-5-oxopyrrolidin-2-yl)pyridin-1-ium-1-yl]oxane-2-carboxylic acid
Also Known As: cotinineglucuronide, cotinine-glucuronide, 3-(pyrrolidin-2-yl)pyridine, 3,4,5-trihydroxy-6-[3-(1-methyl-5-oxopyrrolidin-2-yl)pyridin-1-ium-1-yl]oxane-2-carboxylic acid
Technical Specifications
| Molecular Formula | C16H21N2O7+ |
| Molecular Weight | 353.1349 g/mol |
| XLogP | -1.6 |
| Topological Polar Surface Area (TPSA) | 131.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 353.1349 Da |
| Heavy Atoms | 25 |
| Complexity | 531.0 |
| SMILES | CN1C(CCC1=O)C2=C[N+](=CC=C2)C3C(C(C(C(O3)C(=O)O)O)O)O |
| InChIKey | XWZCZWKUGIQPJD-UHFFFAOYSA-O |
Product Description
Applications: cotinineglucuronide is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
cotinineglucuronide (CAS 5746-86-1) is a fine chemical with the molecular formula C16H21N2O7+ and a molecular weight of 353.13 g/mol. Synonyms include cotinineglucuronide and cotinine-glucuronide.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of cotinineglucuronide
Property Insights of cotinineglucuronide
The XLogP value of -1.6 indicates that cotinineglucuronide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 131.0 Ų falls within the moderate polarity range, balancing permeability and solubility for cotinineglucuronide. Following Lipinski's Rule of Five, cotinineglucuronide has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of cotinineglucuronide?
The CAS number of cotinineglucuronide is 5746-86-1.
What is the molecular formula of cotinineglucuronide?
The molecular formula of cotinineglucuronide is C16H21N2O7+.
What is the molecular weight of cotinineglucuronide?
The molecular weight of cotinineglucuronide is 353.1349 g/mol.
What are the applications of cotinineglucuronide?
cotinineglucuronide is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Where can I buy cotinineglucuronide?
You can request a quote for cotinineglucuronide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for cotinineglucuronide?
Yes, CoreyChem provides custom synthesis services for cotinineglucuronide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.